339742 <common-name>Benzyl-dimethyl-[3-(1-methyl-9h-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium</common-name> <description>Benzyl-dimethyl-[3-(1-methyl-9h-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium is a compound with the formula C24H29N3+2. It has an average molecular weight of 359.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3048095</pubchem-id> <chemical-formula>C24H29N3+2</chemical-formula> <weight>359.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T23:07:30Z</created-at> <updated-at type="dateTime">2026-08-30T23:07:30Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCC[N+](C)(C)CC4=CC=CC=C4</moldb-smiles> <moldb-formula>C24H29N3+2</moldb-formula> <moldb-inchi>InChI=1S/C24H28N3/c1-19-24-22(21-12-7-8-13-23(21)25-24)14-16-26(19)15-9-17-27(2,3)18-20-10-5-4-6-11-20/h4-8,10-14,16H,9,15,17-18H2,1-3H3/q+1/p+1</moldb-inchi> <moldb-inchikey>CFWGZFYAGIBFNI-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">359.2361479</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM335635</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Benzyl-dimethyl-[3-(1-methyl-9h-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Alkaloids and derivatives</superklass> <klass>Harmala alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0290160</sync-id> <structure-inchikey>CFWGZFYAGIBFNI-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>20020000000000800000000100000000000000000000000001000000000000000000800000000000000000000004000002000000000001000000000000800000000000040000000000000008000000000000000000000001000000000000000000000000010000000000080000000040000040080000000000001000000000000040200000800000200000000000000000000100000000000008000000000010000000800004040000080000000000000010000000000000000000002000000000040000000001000000000000000000000000002000046220000001000000000000000000000040000000010000000000000800000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHgAAAIABBgBgAAAAAQMGQCgAAAAD BAdgKgAAAAEDBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQH QDgAAAADAQMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICByAiAAAA AQQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAmgMAgNo DAMEaAwEBWgMBQZoDAYHaAwHCGgMCAloDAkKaAwKC2gMCwxoDAwNaAwCDgAO DwAPEAAQEQAREgAREwARFAAUFQAVFmgMFhdoDBcYaAwYGWgMGRpoDAYBaAwN BWgMDQhoDBoVaAxCBAAAAAYBBgUEAwIFBwYFDQgGCQoLDA0IBhYXGBkaFRcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:10Z</structure-indexed-at> </compound>